Chemical shift perturbation (CSP, chemical shift mapping or complexation-induced changes
in chemical shift, CIS) follows changes in the chemical shifts of a protein when a ligand is …

1. Introduction 22. Sources of structural information in solid-state NMR data 52.1 General
remarks 52.2 Chemical shifts, linewidths, and magic-angle spinning 62.3 Dipole–dipole …

Due to their strong dependence on local atonic environments, NMR chemical shifts are
among the most powerful tools for strucutre elucidation of powdered solids or amorphous …

A new computer program, called SHIFTX2, is described which is capable of rapidly and
accurately calculating diamagnetic 1 H, 13 C and 15 N chemical shifts from protein …

We present a structural model for amyloid fibrils formed by the 40-residue β-amyloid peptide
associated with Alzheimer's disease (Aβ1–40), based on a set of experimental constraints …

NMR chemical shifts provide important local structural information for proteins and are key in
recently described protein structure generation protocols. We describe a new chemical shift …

A computer program (SHIFTX) is described which rapidly and accurately calculates the
diamagnetic 1 H, 13 C and 15 N chemical shifts of both backbone and sidechain atoms in …

RefDB is a secondary database of reference-corrected protein chemical shifts derived from
the BioMagResBank (BMRB). The database was assembled by using a recently developed …

This paper introduces DANGLE, a new algorithm that employs Bayesian inference to
estimate the likelihood of all possible values of the backbone dihedral angles ϕ and ψ for …

Chemical shifts are the mileposts of NMR. For more than 60 years [1, 2], they have been
used by chemists as highly reproducible, easily measured parameters to map out the …